AC1LONVW
7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: A3634/0154198|7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid|7-(4-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|7-{4-[(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YLAMINO)CARBOTHIOYL]PIPERAZINO}-1-ETHYL-6-FLUORO-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
| Molecular Formula | C25H25FN4O5S |
|---|---|
| Molecular Weight | 512.15295 g/mol |
| LogP | 3.1489 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.15295 |
| Monoisotopic Mass | 512.15295 |
| Heavy Atoms | 36 |
| Complexity | 1417.8054 |
Chemical Identifiers
| CAS Number | 697239-68-2 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC5=C(C=C4)OCCO5)F)C(=O)O |
Product Overview
AC1LONVW (CAS 697239-68-2), with molecular formula C25H25FN4O5S and molecular weight 512.15295 g/mol. IUPAC: 7-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.